Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4088213
Preview
| Coordinates | 4088213.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H49 N2 P2 Re |
|---|---|
| Calculated formula | C27 H49 N2 P2 Re |
| SMILES | [ReH4]12([P](Cc3c2c(ccc3)C[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)[n]1ccc(N(C)C)cc1 |
| Title of publication | Complexes of High-Valent Rhenium Supported by the PCP Pincer |
| Authors of publication | Kosanovich, Alex J.; Reibenspies, Joseph H.; Ozerov, Oleg V. |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 4 |
| Pages of publication | 513 |
| a | 8.349 ± 0.004 Å |
| b | 17.552 ± 0.008 Å |
| c | 19.093 ± 0.008 Å |
| α | 90° |
| β | 94.877 ± 0.005° |
| γ | 90° |
| Cell volume | 2788 ± 2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0521 |
| Residual factor for significantly intense reflections | 0.0341 |
| Weighted residual factors for significantly intense reflections | 0.0673 |
| Weighted residual factors for all reflections included in the refinement | 0.0747 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237382 (current) | 2019-11-24 | cif/ Adding structures of 4088212, 4088213 via cif-deposit CGI script. |
4088213.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.